(4E)-4-methylhexa-1,2,4-triene

C7H10 — CID 90999929

IUPAC(4E)-4-methylhexa-1,2,4-triene
SMILESC=C=C/C(C)=C/C
InChIInChI=1S/C7H10/c1-4-6-7(3)5-2/h5-6H,1H2,2-3H3/b7-5+
InChIKeyGJKYDBAQKKMTQV-FNORWQNLSA-N
MW94.16 g/mol
LogP2.29
Rot. Bonds1

About (4E)-4-methylhexa-1,2,4-triene

(4E)-4-methylhexa-1,2,4-triene (PubChem CID 90999929) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is (4E)-4-methylhexa-1,2,4-triene.

Molecular Properties

Compound Name(4E)-4-methylhexa-1,2,4-triene
PubChem CID90999929
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name(4E)-4-methylhexa-1,2,4-triene
SMILESC=C=C/C(C)=C/C
InChIInChI=1S/C7H10/c1-4-6-7(3)5-2/h5-6H,1H2,2-3H3/b7-5+
InChIKeyGJKYDBAQKKMTQV-FNORWQNLSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-4-methylhepta-1,2,4-triene
CID 57085200
buta-1,2-diene;ethane
CID 143712294
4-methylhexa-2,4,5-trien-3-amine
CID 176543493
buta-1,2-diene;molecular nitrogen
CID 141198155
[[[(4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]sulfonylamino]-phosphonomethyl]phosphonic acid
CID 123584997
N-prop-2-enoylbuta-2,3-dienamide
CID 87127669
N-[(E,2E)-3-acetyl-2-ethylidenepent-3-enyl]buta-2,3-dienamide
CID 176543631
2-prop-1-en-2-yloxyhexa-4,5-dien-3-one
CID 90694750
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
2,5-dimethyl-3-prop-1-en-2-ylhepta-1,3,5-triene
CID 91175342
4,5-dimethylidenehepta-1,2,6-triene
CID 175499151
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744

Frequently Asked Questions

What is the IUPAC name of (4E)-4-methylhexa-1,2,4-triene?
The IUPAC name of (4E)-4-methylhexa-1,2,4-triene (CID 90999929) is (4E)-4-methylhexa-1,2,4-triene.
What is the SMILES notation for (4E)-4-methylhexa-1,2,4-triene?
The canonical SMILES for (4E)-4-methylhexa-1,2,4-triene is C=C=C/C(C)=C/C.
What is the InChIKey of (4E)-4-methylhexa-1,2,4-triene?
The InChIKey is GJKYDBAQKKMTQV-FNORWQNLSA-N. The full InChI is InChI=1S/C7H10/c1-4-6-7(3)5-2/h5-6H,1H2,2-3H3/b7-5+.
What are the key properties of (4E)-4-methylhexa-1,2,4-triene?
(4E)-4-methylhexa-1,2,4-triene has a molecular weight of 94.16 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-methylhexa-1,2,4-triene is sourced from PubChem (CID 90999929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).